(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S565-1567 |
| Compound Name: | (4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C25 H28 N8 O |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2c2ccccc2)n1)C(c1c2CCCCCCc2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.477 |
| logD: | 2.4759 |
| logSw: | -2.6629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.394 |
| InChI Key: | NCCVDCSAKMUREB-UHFFFAOYSA-N |